3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H17FN2O3 — CID 3237831

IUPAC3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C18H17FN2O3/c1-23-15-8-2-12(3-9-15)11-20-18(22)17-10-16(21-24-17)13-4-6-14(19)7-5-13/h2-9,17H,10-11H2,1H3,(H,20,22)
InChIKeyCLTYNAMCMKFNPH-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.64
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3237831) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3237831
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C18H17FN2O3/c1-23-15-8-2-12(3-9-15)11-20-18(22)17-10-16(21-24-17)13-4-6-14(19)7-5-13/h2-9,17H,10-11H2,1H3,(H,20,22)
InChIKeyCLTYNAMCMKFNPH-UHFFFAOYSA-N
XLogP2.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3237831) is 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CLTYNAMCMKFNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-23-15-8-2-12(3-9-15)11-20-18(22)17-10-16(21-24-17)13-4-6-14(19)7-5-13/h2-9,17H,10-11H2,1H3,(H,20,22).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3237831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).